1-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(CCC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1CC(C[N+](C1)(CCC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C21H22FN3OS/c22-17-9-7-15(8-10-17)11-13-25(12-3-4-16(14-25)20(23)26)21-24-18-5-1-2-6-19(18)27-21/h1-2,5-10,16H,3-4,11-14H2,(H-,23,26)/p+1